SCHEMBL6937612

SCHEMBL6937612

NC(=O)c1cn(C[C@@H](O)CCCn2ccc3ccc(Cl)cc32)cn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 15/20 0.49
ACLY P53396 3/20 0.48
KMO O15229 1/20 0.45
MCL1 Q07820 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6940404 0.89 ADA (0.47) ADAACLY
SCHEMBL6941810 0.87 ADA (0.69) ADAMCL1
SCHEMBL6938261 0.86 LMNA (0.45) ADA
SCHEMBL6939011 0.84 ADA (0.66) ADAMCL1
SCHEMBL6939006 0.83 ADA (0.48) ADAACLYKMOMCL1
SCHEMBL6936378 0.79 ADA (0.67) ADA
SCHEMBL5673460 0.78 ADA (0.50) ADA
SCHEMBL6937608 0.77 ADA (0.55) ADA
SCHEMBL6133743 0.76 ADA (0.47) ADAMCL1
SCHEMBL6133844 0.76 ADA (0.38) ADAACLY

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed